CID 86688

2,4,6-tris(1-phenylethyl)phenol

Structural Information

Molecular Formula
C30H30O
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)O)C(C)C4=CC=CC=C4
InChI
InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3
InChIKey
BYLSIPUARIZAHZ-UHFFFAOYSA-N
Compound name
2,4,6-tris(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11039
Patents

406.22968 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23696 206.0
[M+Na]+ 429.21890 223.5
[M+NH4]+ 424.26350 215.0
[M+K]+ 445.19284 212.8
[M-H]- 405.22240 215.9
[M+Na-2H]- 427.20435 218.8
[M]+ 406.22913 211.8
[M]- 406.23023 211.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe